2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol

C26H33N5O3 — CID 161213116

IUPAC2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)25-29-16-19(17-30-25)13-18-3-5-21(6-4-18)34-23-15-20(31-9-11-33-12-10-31)14-22-24(23)28-8-7-27-22/h7-8,14-18,21,32H,3-6,9-13H2,1-2H3
InChIKeyUWMRTGZCIZMEMD-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.66
Rot. Bonds6

About 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol

2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol (PubChem CID 161213116) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
PubChem CID161213116
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)25-29-16-19(17-30-25)13-18-3-5-21(6-4-18)34-23-15-20(31-9-11-33-12-10-31)14-22-24(23)28-8-7-27-22/h7-8,14-18,21,32H,3-6,9-13H2,1-2H3
InChIKeyUWMRTGZCIZMEMD-UHFFFAOYSA-N
XLogP3.66
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol with MolForge

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Related Compounds

4-[8-[4-[(2-methylpyrimidin-5-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158858413
4-[8-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157339164
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
4-[8-[4-[(2,5-dimethylpyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 158204207
4-[8-[4-[(2-chloropyrimidin-4-yl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157161500
4-[8-[4-[(2-methoxy-3-pyridinyl)methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 159654436
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-4-amine
CID 147864127
4-[8-[4-[[5-(2-piperidin-1-ylethyl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;4-[8-[4-[[5-(2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;4-[8-[4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine;4-[8-[4-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]cyclohexyl]oxyquinoxalin-6-yl]morpholine
CID 157409001
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
CID 121335789
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol (CID 161213116) is 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol is CC(C)(O)c1ncc(CC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.
What is the InChIKey of 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is UWMRTGZCIZMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,32)25-29-16-19(17-30-25)13-18-3-5-21(6-4-18)34-23-15-20(31-9-11-33-12-10-31)14-22-24(23)28-8-7-27-22/h7-8,14-18,21,32H,3-6,9-13H2,1-2H3.
What are the key properties of 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol?
2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 463.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 161213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).